CAS 1225-43-0 | Androstan-17-ol, (5α,17β)- | CAS Number 1225-43-0

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1225-43-0 | Androstan-17-ol, (5α,17β)-

CAS No: 1225-43-0 Catalog No: AG0017C8 MDL No:

Product Description

Catalog Number:

AG0017C8

Chemical Name:

Androstan-17-ol, (5α,17β)-

CAS Number:

1225-43-0

Molecular Formula:

C19H32O

Molecular Weight:

276.4568

IUPAC Name:

(5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol

InChI:

InChI=1S/C19H32O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h13-17,20H,3-12H2,1-2H3/t13-,14+,15+,16+,17+,18+,19+/m1/s1

InChI Key:

QUKZBUCPOSYYFO-KYQPOWKGSA-N

SMILES:

O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CCCC2

UNII:

I5JL49BERK

NSC Number:

36058

Properties

Complexity:

391

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

276.245g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

276.464g/mol

Monoisotopic Mass:

276.245g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.9

Literature

Title	Journal
Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals.	Journal of medicinal chemistry 20050908
Study of 202 natural, synthetic, and environmental chemicals for binding to the androgen receptor.	Chemical research in toxicology 20031001